N-Deshydroxyethyl Dasatinib-d8

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For Research Use Only | Not For Clinical Use
CATAPS1189998966
CAS1189998-96-6
SynonymsDasatinib Metabolite M4-d8,N-(2-Chloro-6-methylphenyl)-2-[[2-methyl-6-(1-piperazinyl-d8)-4-pyrimidinyl]amino]-5-thiazolecarboxamide
IUPAC NameN-(2-chloro-6-methyl-phenyl)-2-[[2-methyl-6-(2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)pyrimidin-4-yl]methyl]thiazole-5-carboxamide
Molecular Weight451.01
Molecular FormulaC21D8H15ClN6OS
Canonical SMILES[2H]C1([2H])NC([2H])([2H])C([2H])([2H])N(c2cc(Cc3ncc(s3)C(=O)Nc4c(C)cccc4Cl)nc(C)n2)C1([2H])[2H]
InChIInChI=1S/C21H23ClN6OS/c1-13-4-3-5-16(22)20(13)27-21(29)17-12-24-19(30-17)11-15-10-18(26-14(2)25-15)28-8-6-23-7-9-28/h3-5,10,12,23H,6-9,11H2,1-2H3,(H,27,29)/i6D2,7D2,8D2,9D2
Accurate Mass450.1845
FormatNeat
SubcategoryAbl family & Bcr-Abl inhibitors, Stable isotope labelled compounds
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